Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 3/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17842105 | 0.81 | CYP19A1 (0.43) | CYP19A1KCNH2AOC3LOXL2AKT1 | |
| SCHEMBL9951484 | 0.79 | KIF11 (0.41) | LOXL2GCGRRPS6KA3 | |
| SCHEMBL24037998 | 0.73 | LOXL2 (0.43) | LOXL2RPS6KA3 | |
| SCHEMBL25777526 | 0.70 | RPS6KA3 (0.45) | AOC3LOXL2RPS6KA3TGFBR1 | |
| SCHEMBL17816190 | 0.70 | TSHR (0.50) | CYP19A1CYP3A4 | |
| SCHEMBL1858846 | 0.68 | RPS6KA3 (0.44) | AOC3LOXL2RPS6KA3TGFBR1 | |
| SCHEMBL23704364 | 0.68 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL9952379 | 0.68 | KIF11 (0.40) | CYP19A1KCNH2GCGRCYP3A4 | |
| SCHEMBL83998 | 0.67 | RPS6KA3 (0.54) | AOC3LOXL2GCGRRPS6KA3TGFBR1 | |
| SCHEMBL10060243 | 0.67 | CYP19A1 (0.46) | CYP19A1KCNH2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012087630-A1 | PYRIDINE AND PYRIMIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-28 | — | — | WO | disclosed |